3,5-dimethyl-4-[3-nitro-2-(trichloromethyl)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrazole

Systemtic Name: 3,5-dimethyl-4-[3-nitro-2-(trichloromethyl)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrazole Openeye Name: 3,5-dimethyl-4-[3-nitro-2-(trichloromethyl)chroman-4-yl]-1H-pyrazole CAS Name: 3,5-dimethyl-4-[3-nitro-2-(trichloromethyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-1H-pyrazole IUPAC Name: 3,5-dimethyl-4-[3-nitro-2-(trichloromethyl)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrazole Traditional Name: 3,5-dimethyl-4-[3-nitro-2-(trichloromethyl)chroman-4-yl]-1H-pyrazole Formula: C15H14Cl3N3O3 MolecularWeight: 390.64896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)C2C(C(OC3=CC=CC=C23)C(Cl)(Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1)C)C2C(C(OC3=CC=CC=C23)C(Cl)(Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C15H14Cl3N3O3/c1-7-11(8(2)20-19-7)12-9-5-3-4-6-10(9)24-14(15(16,17)18)13(12)21(22)23/h3-6,12-14H,1-2H3,(H,19,20)